Ab Initio Crystal Field for Lanthanides von Ungur, Liviu, Chibotaru, Liviu F.

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Magnetic anisotropy in the excited states of low symmetry lanthanide complexes von UNGUR, Liviu, CHIBOTARU, Liviu F

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Single-molecule toroics in Ising-type lanthanide molecular clusters von Ungur, Liviu, Lin, Shuang-Yan, Tang, Jinkui, Chibotaru, Liviu F

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Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets von Chen, Yan-Cong, Liu, Jun-Liang, Ungur, Liviu, Liu, Jiang, Li, Quan-Wen, Wang, Long-Fei, Ni, Zhao-Ping, Chibotaru, Liviu F, Chen, Xiao-Ming, Tong, Ming-Liang

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Origin of Nonmagnetic Kramers Doublets in the Ground State of Dysprosium Triangles: Evidence for a Toroidal Magnetic Moment von Chibotaru, Liviu F, Ungur, Liviu, Soncini, Alessandro

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Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium–Cyclooctatetraenyl Complexes von Le Roy, Jennifer J, Ungur, Liviu, Korobkov, Ilia, Chibotaru, Liviu F, Murugesu, Muralee

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Modern quantum chemistry with [Open]Molcas von Aquilante, Francesco, Autschbach, Jochen, Baiardi, Alberto, Battaglia, Stefano, Borin, Veniamin A., Chibotaru, Liviu F., Conti, Irene, De Vico, Luca, Delcey, Mickaël, Fdez. Galván, Ignacio, Ferré, Nicolas, Freitag, Leon, Garavelli, Marco, Gong, Xuejun, Knecht, Stefan, Larsson, Ernst D., Lindh, Roland, Lundberg, Marcus, Malmqvist, Per Åke, Nenov, Artur, Norell, Jesper, Odelius, Michael, Olivucci, Massimo, Pedersen, Thomas B., Pedraza-González, Laura, Phung, Quan M., Pierloot, Kristine, Reiher, Markus, Schapiro, Igor, Segarra-Martí, Javier, Segatta, Francesco, Seijo, Luis, Sen, Saumik, Sergentu, Dumitru-Claudiu, Stein, Christopher J., Ungur, Liviu, Vacher, Morgane, Valentini, Alessio, Veryazov, Valera

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Fine-tuning the Local Symmetry to Attain Record Blocking Temperature and Magnetic Remanence in a Single-Ion Magnet von Ungur, Liviu, Le Roy, Jennifer J., Korobkov, Ilia, Murugesu, Muralee, Chibotaru, Liviu F.

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Interplay of Strongly Anisotropic Metal Ions in Magnetic Blocking of Complexes von Ungur, Liviu, Thewissen, Maarten, Costes, Jean-Pierre, Wernsdorfer, Wolfgang, Chibotaru, Liviu F

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Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet von Guo, Yun-Nan, Xu, Gong-Feng, Wernsdorfer, Wolfgang, Ungur, Liviu, Guo, Yang, Tang, Jinkui, Zhang, Hong-Jie, Chibotaru, Liviu F, Powell, Annie K

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Deriving the vibronic coupling constants of the cyclopentadienyl radical with density functional theory and G0W0 von Wong, Zi Cheng, Ungur, Liviu

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Magnetic relaxation pathways in lanthanide single-molecule magnets von Blagg, Robin J., Ungur, Liviu, Tuna, Floriana, Speak, James, Comar, Priyanka, Collison, David, Wernsdorfer, Wolfgang, McInnes, Eric J. L., Chibotaru, Liviu F., Winpenny, Richard E. P.

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Pursuit of Record Breaking Energy Barriers: A Study of Magnetic Axiality in Diamide Ligated DyIII Single-Molecule Magnets von Harriman, Katie L. M, Brosmer, Jonathan L, Ungur, Liviu, Diaconescu, Paula L, Murugesu, Muralee

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Coexistence of Distinct Single-Ion and Exchange-Based Mechanisms for Blocking of Magnetization in a CoII2DyIII2 Single-Molecule Magnet von Mondal, Kartik Chandra, Sundt, Alexander, Lan, Yanhua, Kostakis, George E., Waldmann, Oliver, Ungur, Liviu, Chibotaru, Liviu F., Anson, Christopher E., Powell, Annie K.

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The active site of low-temperature methane hydroxylation in iron-containing zeolites von Snyder, Benjamin E. R., Vanelderen, Pieter, Bols, Max L., Hallaert, Simon D., Böttger, Lars H., Ungur, Liviu, Pierloot, Kristine, Schoonheydt, Robert A., Sels, Bert F., Solomon, Edward I.

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Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles von Ungur, Liviu, Van den Heuvel, Willem, Chibotaru, Liviu F.

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Magnetic Relaxation in Single-Electron Single-Ion Cerium(III) Magnets: Insights from Ab Initio Calculations von Singh, Saurabh Kumar, Gupta, Tulika, Ungur, Liviu, Rajaraman, Gopalan

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A Six-Coordinate Ytterbium Complex Exhibiting Easy-Plane Anisotropy and Field-Induced Single-Ion Magnet Behavior von Liu, Jun-Liang, Yuan, Kang, Leng, Ji-Dong, Ungur, Liviu, Wernsdorfer, Wolfgang, Guo, Fu-Sheng, Chibotaru, Liviu F, Tong, Ming-Liang

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Mechanisms of Luminescence in Lanthanide Complexes: A Crucial Role of Metal–Ligand Covalency von Ungur, Liviu, Szabo, Bernat, ALOthman, Zeid A., Al-Kahtani, Abdullah A. S., Chibotaru, Liviu F.

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An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet von Le Roy, Jennifer J, Jeletic, Matthew, Gorelsky, Serge I, Korobkov, Ilia, Ungur, Liviu, Chibotaru, Liviu F, Murugesu, Muralee

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